1-(3-Chloropropyl)-3-(4-methylphenyl)urea
TL;DR: 1-(3-Chloropropyl)-3-(4-methylphenyl)urea (CAS 153043-81-3) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.0873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloropropyl)-3-(4-methylphenyl)urea
Also Known As: 1-(3-chloropropyl)-3-(4-methylphenyl)urea, KST-1B0643, (s)-2-(4-bromophenyl)-4-isopropyloxazoline, N-(3-Chloropropyl)-N'-(4-methylphenyl)urea, Urea,n-(3-chloropropyl)-n-(4-methylphenyl)-
Technical Specifications
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.0873 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.0873 Da |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)NCCCCl |
| InChIKey | KPHXVRYLWHOELR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea
Property Insights of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloropropyl)-3-(4-methylphenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(3-Chloropropyl)-3-(4-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)-3-(4-methylphenyl)urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea?
The CAS number of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea is 153043-81-3.
What is the molecular formula of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea?
The molecular formula of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea is C11H15ClN2O.
What is the molecular weight of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea?
The molecular weight of 1-(3-Chloropropyl)-3-(4-methylphenyl)urea is 226.0873 g/mol.
Where can I buy 1-(3-Chloropropyl)-3-(4-methylphenyl)urea?
You can request a quote for 1-(3-Chloropropyl)-3-(4-methylphenyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chloropropyl)-3-(4-methylphenyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chloropropyl)-3-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.